tert-butyl N-[1-(2-methoxyethylamino)hept-6-en-2-yl]carbamate

C15H30N2O3 — CID 165451025

IUPACtert-butyl N-[1-(2-methoxyethylamino)hept-6-en-2-yl]carbamate
SMILESC=CCCCC(CNCCOC)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O3/c1-6-7-8-9-13(12-16-10-11-19-5)17-14(18)20-15(2,3)4/h6,13,16H,1,7-12H2,2-5H3,(H,17,18)
InChIKeyGDVORUGRCPMWMT-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.47
Rot. Bonds10

About tert-butyl N-[1-(2-methoxyethylamino)hept-6-en-2-yl]carbamate

tert-butyl N-[1-(2-methoxyethylamino)hept-6-en-2-yl]carbamate (PubChem CID 165451025) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is tert-butyl N-[1-(2-methoxyethylamino)hept-6-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-methoxyethylamino)hept-6-en-2-yl]carbamate
PubChem CID165451025
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nametert-butyl N-[1-(2-methoxyethylamino)hept-6-en-2-yl]carbamate
SMILESC=CCCCC(CNCCOC)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O3/c1-6-7-8-9-13(12-16-10-11-19-5)17-14(18)20-15(2,3)4/h6,13,16H,1,7-12H2,2-5H3,(H,17,18)
InChIKeyGDVORUGRCPMWMT-UHFFFAOYSA-N
XLogP2.47
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hept-6-enoate
CID 100999449
tert-butyl N-[(2S)-1-methoxy-6-(methylamino)hexan-2-yl]carbamate
CID 152912465
tert-butyl N-[1-(pentylamino)butan-2-yl]carbamate
CID 107250285
tert-butyl N-[(3R)-1-(dimethylamino)-1-oxohept-6-en-3-yl]carbamate
CID 95898119
tert-butyl N-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methoxypentan-2-yl]carbamate
CID 164575135
tert-butyl N-[(2S)-4-hydroxy-1-methoxybutan-2-yl]carbamate
CID 53259998
tert-butyl N-[(1R)-1-(but-3-enylamino)-3-methylbutyl]carbamate
CID 176679697
tert-butyl N-[(2S)-1-methoxybutan-2-yl]carbamate
CID 46941495
3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-enoic acid
CID 53397925
but-3-enyl (2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 58139552
tert-butyl N-(1-oxo-3-pent-4-enylsulfanylbut-3-en-2-yl)carbamate
CID 163058220
methyl (2R)-3-but-3-enoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 124706060

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-methoxyethylamino)hept-6-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-methoxyethylamino)hept-6-en-2-yl]carbamate (CID 165451025) is tert-butyl N-[1-(2-methoxyethylamino)hept-6-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-methoxyethylamino)hept-6-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-methoxyethylamino)hept-6-en-2-yl]carbamate is C=CCCCC(CNCCOC)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(2-methoxyethylamino)hept-6-en-2-yl]carbamate?
The InChIKey is GDVORUGRCPMWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-6-7-8-9-13(12-16-10-11-19-5)17-14(18)20-15(2,3)4/h6,13,16H,1,7-12H2,2-5H3,(H,17,18).
What are the key properties of tert-butyl N-[1-(2-methoxyethylamino)hept-6-en-2-yl]carbamate?
tert-butyl N-[1-(2-methoxyethylamino)hept-6-en-2-yl]carbamate has a molecular weight of 286.42 g/mol, XLogP of 2.47, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-methoxyethylamino)hept-6-en-2-yl]carbamate is sourced from PubChem (CID 165451025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).